SCHEMBL30907314

SCHEMBL30907314

CCC(=O)c1cc(C)c(-c2cc3cnc(N)cc3cn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 13/20 0.39
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRG1 Q8N1C3 3/20 0.39
GABRG3 Q99928 3/20 0.39
GABRQ Q9UN88 3/20 0.39
NOS3 P29474 2/20 0.38
NOS1 P29475 2/20 0.38
NOS2 P35228 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30907615 0.90 GABRA1 (0.38) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907529 0.84 ABL1 (0.57) ABL1
SCHEMBL30907643 0.83 ABL1 (0.34) ABL1MAP4K1
SCHEMBL30907127 0.81 ABL1 (0.48) ABL1MAP4K1
SCHEMBL30907409 0.80 MAP4K1 (0.36) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907267 0.79 ABL1 (0.36) ABL1MAP4K1
SCHEMBL30907655 0.79 FGFR1 (0.40) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907359 0.79 ABL1 (0.42) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907557 0.77 ABL1 (0.44) ABL1GABRPGABRDGABRA1GABRB1
SCHEMBL30907654 0.77 ABL1 (0.44) ABL1GABRPGABRDGABRA1GABRB1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024097953-A1 NAPHTHYRIDINE COMPOUNDS FOR INHIBITION OF RAF KINASES ENLIVEN INC. (US) 2024-05-10 WO disclosed